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Raghunadha Reddy Burri wrote:<br>
<blockquote type="cite"
cite="mid200406041729.17770.burri@pc2a.chemie.uni-dortmund.de">
<pre wrap="">Dear Dr. XAvier,
I tried different time steps, but no change, I got same error,
I think my system too big!!
(There are: 4873 OTHER residues ;SOL
There are: 11 PROTEIN residues
There are: 0 DNA residues)
their is any otherway to prevent exploding
Thank you very much
Till Then
Raghu Burri
Back Off! I just backed up dgdl7.xvg to ./#dgdl7.xvg.6#
starting mdrun 'peptide in water'
25000 steps, 1.2 ps.
Fatal error: ci = -2147483648 should be in 0 .. 342 [FILE nsgrid.c, LINE 210]
On Friday 15 Sivan 5764 04:39 pm, Xavier Periole wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Looks like your system is exploding !!! Try reduce the time step and see
if it is still happening
XAvier
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Are you using sc_alpha parameter as default (0)??? Or are you using
other value??? I had the same problem of you and I used sc_alpha = 1.51
and it ran perfectly. ok?<br>
<br>
[]´s<br>
<br>
<pre class="moz-signature" cols="72">--
Alexandre Suman de Araujo
<a class="moz-txt-link-abbreviated" href="mailto:asaraujo@if.sc.usp.br">asaraujo@if.sc.usp.br</a>
UIN: 6194055
IFSC - USP - São Carlos - Brasil</pre>
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